N-[4-[[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C18H22N6O3/c1-13(25)21-14-6-8-15(9-7-14)22-17-16(24(26)27)18(20-12-19-17)23-10-4-2-3-5-11-23/h6-9,12H,2-5,10-11H2,1H3,(H,21,25)(H,19,20,22)